5-pentyl-N-(2-piperidin-1-ylethyl)pyridine-2-carboxamide

C18H29N3O — CID 172619049

IUPAC5-pentyl-N-(2-piperidin-1-ylethyl)pyridine-2-carboxamide
SMILESCCCCCc1ccc(C(=O)NCCN2CCCCC2)nc1
InChIInChI=1S/C18H29N3O/c1-2-3-5-8-16-9-10-17(20-15-16)18(22)19-11-14-21-12-6-4-7-13-21/h9-10,15H,2-8,11-14H2,1H3,(H,19,22)
InChIKeyDVKFFWOIZTZCEF-UHFFFAOYSA-N
MW303.45 g/mol
LogP3.03
Rot. Bonds8

About 5-pentyl-N-(2-piperidin-1-ylethyl)pyridine-2-carboxamide

5-pentyl-N-(2-piperidin-1-ylethyl)pyridine-2-carboxamide (PubChem CID 172619049) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is 5-pentyl-N-(2-piperidin-1-ylethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-pentyl-N-(2-piperidin-1-ylethyl)pyridine-2-carboxamide
PubChem CID172619049
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC Name5-pentyl-N-(2-piperidin-1-ylethyl)pyridine-2-carboxamide
SMILESCCCCCc1ccc(C(=O)NCCN2CCCCC2)nc1
InChIInChI=1S/C18H29N3O/c1-2-3-5-8-16-9-10-17(20-15-16)18(22)19-11-14-21-12-6-4-7-13-21/h9-10,15H,2-8,11-14H2,1H3,(H,19,22)
InChIKeyDVKFFWOIZTZCEF-UHFFFAOYSA-N
XLogP3.03
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(aminomethyl)-N-(2-piperidin-1-ylethyl)pyridine-2-carboxamide
CID 63724906
5-(aminomethyl)-N-(3-pyrrolidin-1-ylpropyl)pyridine-2-carboxamide
CID 55229822
4-pentyl-N-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]benzamide
CID 23090890
5-(2-pyrrolidin-1-ylethylcarbamoyl)pyridine-2-carboxylic acid
CID 60725088
5-(azepan-1-yl)-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
CID 109185693
5-[butyl(methyl)amino]-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
CID 109185688
5-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-2-carboxamide
CID 81316862
1-[2-(4-octylphenyl)ethyl]azepane
CID 71546091
5-(4-methylpiperazin-1-yl)-N-pentylpyridine-2-carboxamide
CID 109186486
5-pentyl-N'-phenylpyridine-2-carbohydrazide
CID 172618878
N-pentyl-5-piperidin-1-ylpyrazine-2-carboxamide
CID 109274518
5-(ethylamino)-N-(2-thiomorpholin-4-ylethyl)pyridine-2-carboxamide
CID 106327192

Frequently Asked Questions

What is the IUPAC name of 5-pentyl-N-(2-piperidin-1-ylethyl)pyridine-2-carboxamide?
The IUPAC name of 5-pentyl-N-(2-piperidin-1-ylethyl)pyridine-2-carboxamide (CID 172619049) is 5-pentyl-N-(2-piperidin-1-ylethyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-pentyl-N-(2-piperidin-1-ylethyl)pyridine-2-carboxamide?
The canonical SMILES for 5-pentyl-N-(2-piperidin-1-ylethyl)pyridine-2-carboxamide is CCCCCc1ccc(C(=O)NCCN2CCCCC2)nc1.
What is the InChIKey of 5-pentyl-N-(2-piperidin-1-ylethyl)pyridine-2-carboxamide?
The InChIKey is DVKFFWOIZTZCEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O/c1-2-3-5-8-16-9-10-17(20-15-16)18(22)19-11-14-21-12-6-4-7-13-21/h9-10,15H,2-8,11-14H2,1H3,(H,19,22).
What are the key properties of 5-pentyl-N-(2-piperidin-1-ylethyl)pyridine-2-carboxamide?
5-pentyl-N-(2-piperidin-1-ylethyl)pyridine-2-carboxamide has a molecular weight of 303.45 g/mol, XLogP of 3.03, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pentyl-N-(2-piperidin-1-ylethyl)pyridine-2-carboxamide is sourced from PubChem (CID 172619049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).